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Patent code US10227332

Compile Data Set for Download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM368196
PNG
(US10227332, No. 10)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCN(CC(=O)NC(C)(C)C)CC1
Show InChI InChI=1S/C28H38N4O2/c1-5-6-9-14-32-24-11-8-7-10-22(24)23-19-21(12-13-25(23)32)27(34)31-17-15-30(16-18-31)20-26(33)29-28(2,3)4/h7-8,10-13,19H,5-6,9,14-18,20H2,1-4H3,(H,29,33)
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15n/an/an/an/an/an/an/an/a



UTI LIMITED PARTNERSHIP; THE UNIVERSITY OF MONTANA

US Patent


Assay Description
The structure-activity relationship and optimization studies have led to the discovery of selective T-type calcium channel blockers, e.g., compound 9...


US Patent US10227332 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM368194
PNG
(US10227332, No. 8)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H27N3O/c1-2-3-6-13-25-20-8-5-4-7-18(20)19-16-17(9-10-21(19)25)22(26)24-14-11-23-12-15-24/h4-5,7-10,16,23H,2-3,6,11-15H2,1H3
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283n/an/an/an/an/an/an/an/a



UTI LIMITED PARTNERSHIP; THE UNIVERSITY OF MONTANA

US Patent


Assay Description
The structure-activity relationship and optimization studies have led to the discovery of selective T-type calcium channel blockers, e.g., compound 9...


US Patent US10227332 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM368196
PNG
(US10227332, No. 10)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCN(CC(=O)NC(C)(C)C)CC1
Show InChI InChI=1S/C28H38N4O2/c1-5-6-9-14-32-24-11-8-7-10-22(24)23-19-21(12-13-25(23)32)27(34)31-17-15-30(16-18-31)20-26(33)29-28(2,3)4/h7-8,10-13,19H,5-6,9,14-18,20H2,1-4H3,(H,29,33)
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1.97E+3n/an/an/an/an/an/an/an/a



UTI LIMITED PARTNERSHIP; THE UNIVERSITY OF MONTANA

US Patent


Assay Description
The structure-activity relationship and optimization studies have led to the discovery of selective T-type calcium channel blockers, e.g., compound 9...


US Patent US10227332 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM368194
PNG
(US10227332, No. 8)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H27N3O/c1-2-3-6-13-25-20-8-5-4-7-18(20)19-16-17(9-10-21(19)25)22(26)24-14-11-23-12-15-24/h4-5,7-10,16,23H,2-3,6,11-15H2,1H3
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2.83E+3n/an/an/an/an/an/an/an/a



UTI LIMITED PARTNERSHIP; THE UNIVERSITY OF MONTANA

US Patent


Assay Description
The structure-activity relationship and optimization studies have led to the discovery of selective T-type calcium channel blockers, e.g., compound 9...


US Patent US10227332 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM368193
PNG
(US10227332, No. 6)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H35N3O3/c1-5-6-9-14-30-23-11-8-7-10-21(23)22-19-20(12-13-24(22)30)25(31)28-15-17-29(18-16-28)26(32)33-27(2,3)4/h7-8,10-13,19H,5-6,9,14-18H2,1-4H3
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US Patent
2.96E+3n/an/an/an/an/an/an/an/a



UTI LIMITED PARTNERSHIP; THE UNIVERSITY OF MONTANA

US Patent


Assay Description
The structure-activity relationship and optimization studies have led to the discovery of selective T-type calcium channel blockers, e.g., compound 9...


US Patent US10227332 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM368195
PNG
(US10227332, No. 9)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1
Show InChI InChI=1S/C30H42N4O2/c1-5-6-9-16-34-26-11-8-7-10-24(26)25-19-23(12-13-27(25)34)29(36)31-20-22-14-17-33(18-15-22)21-28(35)32-30(2,3)4/h7-8,10-13,19,22H,5-6,9,14-18,20-21H2,1-4H3,(H,31,36)(H,32,35)
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>5.00E+3n/an/an/an/an/an/an/an/a



UTI LIMITED PARTNERSHIP; THE UNIVERSITY OF MONTANA

US Patent


Assay Description
The structure-activity relationship and optimization studies have led to the discovery of selective T-type calcium channel blockers, e.g., compound 9...


US Patent US10227332 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM368193
PNG
(US10227332, No. 6)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H35N3O3/c1-5-6-9-14-30-23-11-8-7-10-21(23)22-19-20(12-13-24(22)30)25(31)28-15-17-29(18-16-28)26(32)33-27(2,3)4/h7-8,10-13,19H,5-6,9,14-18H2,1-4H3
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>5.00E+3n/an/an/an/an/an/an/an/a



UTI LIMITED PARTNERSHIP; THE UNIVERSITY OF MONTANA

US Patent


Assay Description
The structure-activity relationship and optimization studies have led to the discovery of selective T-type calcium channel blockers, e.g., compound 9...


US Patent US10227332 (2019)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM368195
PNG
(US10227332, No. 9)
Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1
Show InChI InChI=1S/C30H42N4O2/c1-5-6-9-16-34-26-11-8-7-10-24(26)25-19-23(12-13-27(25)34)29(36)31-20-22-14-17-33(18-15-22)21-28(35)32-30(2,3)4/h7-8,10-13,19,22H,5-6,9,14-18,20-21H2,1-4H3,(H,31,36)(H,32,35)
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>5.00E+3n/an/an/an/an/an/an/an/a



UTI LIMITED PARTNERSHIP; THE UNIVERSITY OF MONTANA

US Patent


Assay Description
The structure-activity relationship and optimization studies have led to the discovery of selective T-type calcium channel blockers, e.g., compound 9...


US Patent US10227332 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%